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TitleDifluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity.
Journal, issue, pagesJ. Biol. Chem., Vol. 299, Page 102800-102800, Year 2022
Publish dateJun 27, 2022 (structure data deposition date)
AuthorsCellupica, E. / Caprini, G. / Cordella, P. / Cukier, C. / Fossati, G. / Marchini, M. / Rocchio, I. / Sandrone, G. / Vanoni, M.A. / Vergani, B. ...Cellupica, E. / Caprini, G. / Cordella, P. / Cukier, C. / Fossati, G. / Marchini, M. / Rocchio, I. / Sandrone, G. / Vanoni, M.A. / Vergani, B. / Zrubek, K. / Stevenazzi, A. / Steinkuhler, C.
External linksJ. Biol. Chem. / PubMed:36528061
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-8a8z:
Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-LDL:
4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

Source
  • danio rerio (zebrafish)
KeywordsHYDROLASE / HISTONE DEACETYLASE / COMPLEX WITH HYDRAZIDE / NON-HYDROXAMATE ZINC BINDING GROUP / MECHANISM-BASED INHIBITOR

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